2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid

C14H12ClNO4S — CID 2329158

IUPAC2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-16(10-5-3-2-4-6-10)21(19,20)11-7-8-13(15)12(9-11)14(17)18/h2-9H,1H3,(H,17,18)
InChIKeyNAZKDUFIGADRGV-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid

2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 2329158) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid
PubChem CID2329158
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-16(10-5-3-2-4-6-10)21(19,20)11-7-8-13(15)12(9-11)14(17)18/h2-9H,1H3,(H,17,18)
InChIKeyNAZKDUFIGADRGV-UHFFFAOYSA-N
XLogP2.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid (CID 2329158) is 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid is CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is NAZKDUFIGADRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-16(10-5-3-2-4-6-10)21(19,20)11-7-8-13(15)12(9-11)14(17)18/h2-9H,1H3,(H,17,18).
What are the key properties of 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid?
2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 325.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2329158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).